4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide

C17H22N4O — CID 5197815

IUPAC4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)15-9-7-14(8-10-15)16(22)20-17-18-12(3)11-13(4)19-17/h7-11H,5-6H2,1-4H3,(H,18,19,20,22)
InChIKeyYTGBSNAGZKWFST-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds5

About 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide

4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide (PubChem CID 5197815) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
PubChem CID5197815
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)15-9-7-14(8-10-15)16(22)20-17-18-12(3)11-13(4)19-17/h7-11H,5-6H2,1-4H3,(H,18,19,20,22)
InChIKeyYTGBSNAGZKWFST-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
CID 3254451
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
N'-[4-(diethylamino)benzoyl]-6-methylpyridine-3-carbohydrazide
CID 30288485
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide (CID 5197815) is 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide is CCN(CC)c1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The InChIKey is YTGBSNAGZKWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(6-2)15-9-7-14(8-10-15)16(22)20-17-18-12(3)11-13(4)19-17/h7-11H,5-6H2,1-4H3,(H,18,19,20,22).
What are the key properties of 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 5197815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).